2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

C19H23N3O2S — CID 51128486

IUPAC2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CCCC3)cs2)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-13-6-7-15(14(2)10-13)18-20-16(12-25-18)19(24)21(3)11-17(23)22-8-4-5-9-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyPDAKWSGRLYVJMH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.12
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 51128486) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID51128486
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CCCC3)cs2)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-13-6-7-15(14(2)10-13)18-20-16(12-25-18)19(24)21(3)11-17(23)22-8-4-5-9-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyPDAKWSGRLYVJMH-UHFFFAOYSA-N
XLogP3.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (CID 51128486) is 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CCCC3)cs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PDAKWSGRLYVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-6-7-15(14(2)10-13)18-20-16(12-25-18)19(24)21(3)11-17(23)22-8-4-5-9-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51128486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).